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20172026
most citedLocalized Orbital Scaling Correction for Systematic Elimination of Delocalization Error in Density Functional Approximations

164 citations · 206 across the 9 of their papers we have counts for

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physics.chem-ph2017★ 164 cited

Localized Orbital Scaling Correction for Systematic Elimination of Delocalization Error in Density Functional Approximations

Chen Li, Xiao Zheng, Neil Qiang Su +1

The delocalization error of popular density functional approximations (DFAs) leads to diversified problems in present-day density functional theory calculations. For achieving a un…